4-[[9-(phenylsulfonyl)-4,9-diazaspiro[5.5]undecan-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[9-(phenylsulfonyl)-4,9-diazaspiro[5.5]undecan-4-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[9-(benzenesulfonyl)-4,9-diazaspiro[5.5]undecan-4-yl]methyl]benzonitrile CAS Name: 4-[[9-(benzenesulfonyl)-4,9-diazaspiro[5.5]undecan-4-yl]methyl]benzonitrile IUPAC Name: 4-[[9-(benzenesulfonyl)-4,9-diazaspiro[5.5]undecan-4-yl]methyl]benzonitrile Traditional Name: 4-[(9-besyl-4,9-diazaspiro[5.5]undecan-4-yl)methyl]benzonitrile Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CN(C1)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CN(C1)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H27N3O2S/c24-17-20-7-9-21(10-8-20)18-25-14-4-11-23(19-25)12-15-26(16-13-23)29(27,28)22-5-2-1-3-6-22/h1-3,5-10H,4,11-16,18-19H2